N-methyl-N-[(E)-4-phenylbutan-2-ylideneamino]aniline

C17H20N2 — CID 15442579

IUPACN-methyl-N-[(E)-4-phenylbutan-2-ylideneamino]aniline
SMILESC/C(CCc1ccccc1)=N\N(C)c1ccccc1
InChIInChI=1S/C17H20N2/c1-15(13-14-16-9-5-3-6-10-16)18-19(2)17-11-7-4-8-12-17/h3-12H,13-14H2,1-2H3/b18-15+
InChIKeyGLZKDOLARDOORE-OBGWFSINSA-N
MW252.36 g/mol
LogP4.13
Rot. Bonds5

About N-methyl-N-[(E)-4-phenylbutan-2-ylideneamino]aniline

N-methyl-N-[(E)-4-phenylbutan-2-ylideneamino]aniline (PubChem CID 15442579) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-methyl-N-[(E)-4-phenylbutan-2-ylideneamino]aniline.

Molecular Properties

Compound NameN-methyl-N-[(E)-4-phenylbutan-2-ylideneamino]aniline
PubChem CID15442579
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC NameN-methyl-N-[(E)-4-phenylbutan-2-ylideneamino]aniline
SMILESC/C(CCc1ccccc1)=N\N(C)c1ccccc1
InChIInChI=1S/C17H20N2/c1-15(13-14-16-9-5-3-6-10-16)18-19(2)17-11-7-4-8-12-17/h3-12H,13-14H2,1-2H3/b18-15+
InChIKeyGLZKDOLARDOORE-OBGWFSINSA-N
XLogP4.13
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[(Z)-1-phenylpentan-2-ylideneamino]aniline
CID 10333162
N'-methyl-N-(4-phenylbutan-2-ylidene)methanimidamide
CID 89164600
N-methyl-N-[[2-[methyl(phenyl)hydrazinylidene]-1,2-diphenylethylidene]amino]aniline
CID 4287495
[(3E)-3-diaminophosphoryloxyiminobutyl]benzene
CID 88674892
N-[(Z)-[(3Z)-2,3-bis[methyl(phenyl)hydrazinylidene]propylidene]amino]-N-methylaniline
CID 6080786
N-naphthalen-1-yl-4-phenylbutan-2-imine
CID 157374253
2-[methyl(phenyl)hydrazinylidene]propanedioic acid
CID 165345794
(E)-N-(azepan-1-yl)-4-phenylbutan-2-imine
CID 15442581
(E)-N-diphenylphosphinothioyl-4-phenylbutan-2-imine
CID 135072310
N-[(Z)-4-phenylbutan-2-ylideneamino]methanesulfonamide
CID 5333769
N-(2-methoxyphenyl)-4-phenylbutan-2-imine
CID 158891075
[(Z)-4-phenylbutan-2-ylideneamino]thiourea
CID 5360785

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(E)-4-phenylbutan-2-ylideneamino]aniline?
The IUPAC name of N-methyl-N-[(E)-4-phenylbutan-2-ylideneamino]aniline (CID 15442579) is N-methyl-N-[(E)-4-phenylbutan-2-ylideneamino]aniline.
What is the SMILES notation for N-methyl-N-[(E)-4-phenylbutan-2-ylideneamino]aniline?
The canonical SMILES for N-methyl-N-[(E)-4-phenylbutan-2-ylideneamino]aniline is C/C(CCc1ccccc1)=N\N(C)c1ccccc1.
What is the InChIKey of N-methyl-N-[(E)-4-phenylbutan-2-ylideneamino]aniline?
The InChIKey is GLZKDOLARDOORE-OBGWFSINSA-N. The full InChI is InChI=1S/C17H20N2/c1-15(13-14-16-9-5-3-6-10-16)18-19(2)17-11-7-4-8-12-17/h3-12H,13-14H2,1-2H3/b18-15+.
What are the key properties of N-methyl-N-[(E)-4-phenylbutan-2-ylideneamino]aniline?
N-methyl-N-[(E)-4-phenylbutan-2-ylideneamino]aniline has a molecular weight of 252.36 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(E)-4-phenylbutan-2-ylideneamino]aniline is sourced from PubChem (CID 15442579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).